methyl N-cyano-N'-[3-(4,5-dimethyl-1H-imidazol-2-yl)propyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[3-(4,5-dimethyl-1H-imidazol-2-yl)propyl]carbamimidothioate Openeye Name: 1-cyano-3-[3-(4,5-dimethyl-1H-imidazol-2-yl)propyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[3-(4,5-dimethyl-1H-imidazol-2-yl)propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[3-(4,5-dimethyl-1H-imidazol-2-yl)propyl]carbamimidothioate Traditional Name: 1-cyano-3-[3-(4,5-dimethyl-1H-imidazol-2-yl)propyl]-2-methyl-isothiourea Formula: C11H17N5S MolecularWeight: 251.35118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)CCCN=C(NC#N)SC)C

Isomeric SMILES

CC1=C(N=C(N1)CCCN=C(NC#N)SC)C

InChI

InChI=1S/C11H17N5S/c1-8-9(2)16-10(15-8)5-4-6-13-11(17-3)14-7-12/h4-6H2,1-3H3,(H,13,14)(H,15,16)